4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one

C15H27NO2 — CID 171937984

IUPAC4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
SMILESCN1C2COCC1CC(C(=O)CCC(C)(C)C)C2
InChIInChI=1S/C15H27NO2/c1-15(2,3)6-5-14(17)11-7-12-9-18-10-13(8-11)16(12)4/h11-13H,5-10H2,1-4H3
InChIKeyFMPZAXSHFZTPQX-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.49
Rot. Bonds3

About 4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one

4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one (PubChem CID 171937984) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
PubChem CID171937984
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
SMILESCN1C2COCC1CC(C(=O)CCC(C)(C)C)C2
InChIInChI=1S/C15H27NO2/c1-15(2,3)6-5-14(17)11-7-12-9-18-10-13(8-11)16(12)4/h11-13H,5-10H2,1-4H3
InChIKeyFMPZAXSHFZTPQX-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one?
The IUPAC name of 4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one (CID 171937984) is 4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one.
What is the SMILES notation for 4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one?
The canonical SMILES for 4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one is CN1C2COCC1CC(C(=O)CCC(C)(C)C)C2.
What is the InChIKey of 4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one?
The InChIKey is FMPZAXSHFZTPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2,3)6-5-14(17)11-7-12-9-18-10-13(8-11)16(12)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one?
4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one is sourced from PubChem (CID 171937984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).